N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole

C131H162N26O22S10 — CID 158159893

About N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole

N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole (PubChem CID 158159893) has the molecular formula C131H162N26O22S10 and a molecular weight of 2773.57 g/mol. Its IUPAC name is N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole.

Molecular Properties

• Compound Name: N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole
• PubChem CID: 158159893
• Molecular Formula: C131H162N26O22S10
• Molecular Weight: 2773.57 g/mol
• Exact Mass: 2770.96
• IUPAC Name: N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole
• SMILES: CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ncc(C)cn5)CC4)sc3c2)CC1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCCC(=O)NCC)CC5)cc4s3)CC2)nc1.COC(=O)CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ncc(OC)cn5)CC4)sc3c2)CC1.COC(=O)CCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ncc(OC)cn5)CC4)sc3c2)CC1.Cc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4s3)CC2)nc1
• InChI: InChI=1S/C30H40N6O4S2.C27H33N5O6S2.C26H31N5O6S2.C25H31N5O3S2.C23H27N5O3S2/c1-3-6-22-20-32-29(33-21-22)35-14-12-25(13-15-35)40-30-34-26-9-8-24(19-27(26)41-30)23-10-16-36(17-11-23)42(38,39)18-5-7-28(37)31-4-2;1-36-22-17-28-26(29-18-22)31-11-9-21(10-12-31)38-27-30-23-6-5-20(16-24(23)39-27)19-7-13-32(14-8-19)40(34,35)15-3-4-25(33)37-2;1-35-21-16-27-25(28-17-21)30-10-7-20(8-11-30)37-26-29-22-4-3-19(15-23(22)38-26)18-5-12-31(13-6-18)39(33,34)14-9-24(32)36-2;1-3-14-35(31,32)30-12-6-19(7-13-30)20-4-5-22-23(15-20)34-25(28-22)33-21-8-10-29(11-9-21)24-26-16-18(2)17-27-24;1-16-14-24-22(25-15-16)27-9-7-19(8-10-27)31-23-26-20-4-3-18(13-21(20)32-23)17-5-11-28(12-6-17)33(2,29)30/h8-10,19-21,25H,3-7,11-18H2,1-2H3,(H,31,37);5-7,16-18,21H,3-4,8-15H2,1-2H3;3-5,15-17,20H,6-14H2,1-2H3;4-6,15-17,21H,3,7-14H2,1-2H3;3-5,13-15,19H,6-12H2,1-2H3
• InChIKey: FWDHBCLXBVQZFJ-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 542.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 47
• Rotatable Bonds: 43
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2773.57
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole?

The IUPAC name of N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole (CID 158159893) is N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole.

What is the SMILES notation for N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole?

The canonical SMILES for N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole is CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ncc(C)cn5)CC4)sc3c2)CC1.CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(=O)(=O)CCCC(=O)NCC)CC5)cc4s3)CC2)nc1.COC(=O)CCCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ncc(OC)cn5)CC4)sc3c2)CC1.COC(=O)CCS(=O)(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ncc(OC)cn5)CC4)sc3c2)CC1.Cc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(S(C)(=O)=O)CC5)cc4s3)CC2)nc1.

What is the InChIKey of N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole?

The InChIKey is FWDHBCLXBVQZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O4S2.C27H33N5O6S2.C26H31N5O6S2.C25H31N5O3S2.C23H27N5O3S2/c1-3-6-22-20-32-29(33-21-22)35-14-12-25(13-15-35)40-30-34-26-9-8-24(19-27(26)41-30)23-10-16-36(17-11-23)42(38,39)18-5-7-28(37)31-4-2;1-36-22-17-28-26(29-18-22)31-11-9-21(10-12-31)38-27-30-23-6-5-20(16-24(23)39-27)19-7-13-32(14-8-19)40(34,35)15-3-4-25(33)37-2;1-35-21-16-27-25(28-17-21)30-10-7-20(8-11-30)37-26-29-22-4-3-19(15-23(22)38-26)18-5-12-31(13-6-18)39(33,34)14-9-24(32)36-2;1-3-14-35(31,32)30-12-6-19(7-13-30)20-4-5-22-23(15-20)34-25(28-22)33-21-8-10-29(11-9-21)24-26-16-18(2)17-27-24;1-16-14-24-22(25-15-16)27-9-7-19(8-10-27)31-23-26-20-4-3-18(13-21(20)32-23)17-5-11-28(12-6-17)33(2,29)30/h8-10,19-21,25H,3-7,11-18H2,1-2H3,(H,31,37);5-7,16-18,21H,3-4,8-15H2,1-2H3;3-5,15-17,20H,6-14H2,1-2H3;4-6,15-17,21H,3,7-14H2,1-2H3;3-5,13-15,19H,6-12H2,1-2H3.

What are the key properties of N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole?

N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole has a molecular weight of 2773.57 g/mol, XLogP of 18.82, 43 rotatable bonds, 1 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanamide;methyl 4-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butanoate;methyl 3-[[4-[2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]propanoate;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole is sourced from PubChem (CID 158159893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).